[6-benzyl-2,2-dimethyl-5-oxo-4-(2-oxopyrrolidin-1-yl)-3,4-dihydropyrano[3,2-c]quinolin-3-yl] acetate

C27H28N2O5 — CID 19983163

IUPAC[6-benzyl-2,2-dimethyl-5-oxo-4-(2-oxopyrrolidin-1-yl)-3,4-dihydropyrano[3,2-c]quinolin-3-yl] acetate
SMILESCC(=O)OC1C(N2CCCC2=O)c2c(c3ccccc3n(Cc3ccccc3)c2=O)OC1(C)C
InChIInChI=1S/C27H28N2O5/c1-17(30)33-25-23(28-15-9-14-21(28)31)22-24(34-27(25,2)3)19-12-7-8-13-20(19)29(26(22)32)16-18-10-5-4-6-11-18/h4-8,10-13,23,25H,9,14-16H2,1-3H3
InChIKeyGKOOXVLIGRXIRM-UHFFFAOYSA-N
MW460.53 g/mol
LogP3.82
Rot. Bonds4

About [6-benzyl-2,2-dimethyl-5-oxo-4-(2-oxopyrrolidin-1-yl)-3,4-dihydropyrano[3,2-c]quinolin-3-yl] acetate

[6-benzyl-2,2-dimethyl-5-oxo-4-(2-oxopyrrolidin-1-yl)-3,4-dihydropyrano[3,2-c]quinolin-3-yl] acetate (PubChem CID 19983163) has the molecular formula C27H28N2O5 and a molecular weight of 460.53 g/mol. Its IUPAC name is [6-benzyl-2,2-dimethyl-5-oxo-4-(2-oxopyrrolidin-1-yl)-3,4-dihydropyrano[3,2-c]quinolin-3-yl] acetate.

Molecular Properties

Compound Name[6-benzyl-2,2-dimethyl-5-oxo-4-(2-oxopyrrolidin-1-yl)-3,4-dihydropyrano[3,2-c]quinolin-3-yl] acetate
PubChem CID19983163
Molecular FormulaC27H28N2O5
Molecular Weight460.53 g/mol
Exact Mass460.20
IUPAC Name[6-benzyl-2,2-dimethyl-5-oxo-4-(2-oxopyrrolidin-1-yl)-3,4-dihydropyrano[3,2-c]quinolin-3-yl] acetate
SMILESCC(=O)OC1C(N2CCCC2=O)c2c(c3ccccc3n(Cc3ccccc3)c2=O)OC1(C)C
InChIInChI=1S/C27H28N2O5/c1-17(30)33-25-23(28-15-9-14-21(28)31)22-24(34-27(25,2)3)19-12-7-8-13-20(19)29(26(22)32)16-18-10-5-4-6-11-18/h4-8,10-13,23,25H,9,14-16H2,1-3H3
InChIKeyGKOOXVLIGRXIRM-UHFFFAOYSA-N
XLogP3.82
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

6-benzyl-3-hydroxy-2,2-dimethyl-4-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydropyrano[3,2-c]quinolin-5-one
CID 19983161
(3S,4R)-3-hydroxy-2,2-dimethyl-4-(3-oxobutylamino)-6-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydropyrano[3,2-c]quinolin-5-one
CID 70056442
(9-benzyl-4-oxo-2,3-dihydrofuro[2,3-b]quinolin-2-yl) acetate
CID 10759224
(9-benzyl-1,2,3,4-tetrahydrocarbazol-1-yl) acetate
CID 67866847
N-[[(3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromen-6-yl]methyl]acetamide
CID 67876043
[(2S,3S,5R,8R)-5,9,9-trimethyl-19-oxo-4,10-dioxa-18-azapentacyclo[9.8.0.02,8.03,5.012,17]nonadeca-1(11),12,14,16-tetraen-18-yl]methyl acetate
CID 163005203
1-[(3R,4S)-6-ethyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]pyrrolidin-2-one
CID 54512297
(6R,7R)-5,5-dimethyl-7-(2-oxopiperidin-1-yl)-6-phenylmethoxy-6,7-dihydrothieno[3,2-b]pyran-2-carboxamide
CID 15681186
1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid
CID 54726736
1-[(3S,4R)-6-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]pyrrolidin-2-one
CID 13151184
1-[(3S,4R)-3-(6-hydroxyhexoxy)-6-isocyano-2,2-dimethyl-3,4-dihydrochromen-4-yl]pyrrolidin-2-one
CID 165387350
1-[(3S,4R)-3-(7-hydroxyheptoxy)-6-isocyano-2,2-dimethyl-3,4-dihydrochromen-4-yl]pyrrolidin-2-one
CID 165387289

Frequently Asked Questions

What is the IUPAC name of [6-benzyl-2,2-dimethyl-5-oxo-4-(2-oxopyrrolidin-1-yl)-3,4-dihydropyrano[3,2-c]quinolin-3-yl] acetate?
The IUPAC name of [6-benzyl-2,2-dimethyl-5-oxo-4-(2-oxopyrrolidin-1-yl)-3,4-dihydropyrano[3,2-c]quinolin-3-yl] acetate (CID 19983163) is [6-benzyl-2,2-dimethyl-5-oxo-4-(2-oxopyrrolidin-1-yl)-3,4-dihydropyrano[3,2-c]quinolin-3-yl] acetate.
What is the SMILES notation for [6-benzyl-2,2-dimethyl-5-oxo-4-(2-oxopyrrolidin-1-yl)-3,4-dihydropyrano[3,2-c]quinolin-3-yl] acetate?
The canonical SMILES for [6-benzyl-2,2-dimethyl-5-oxo-4-(2-oxopyrrolidin-1-yl)-3,4-dihydropyrano[3,2-c]quinolin-3-yl] acetate is CC(=O)OC1C(N2CCCC2=O)c2c(c3ccccc3n(Cc3ccccc3)c2=O)OC1(C)C.
What is the InChIKey of [6-benzyl-2,2-dimethyl-5-oxo-4-(2-oxopyrrolidin-1-yl)-3,4-dihydropyrano[3,2-c]quinolin-3-yl] acetate?
The InChIKey is GKOOXVLIGRXIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O5/c1-17(30)33-25-23(28-15-9-14-21(28)31)22-24(34-27(25,2)3)19-12-7-8-13-20(19)29(26(22)32)16-18-10-5-4-6-11-18/h4-8,10-13,23,25H,9,14-16H2,1-3H3.
What are the key properties of [6-benzyl-2,2-dimethyl-5-oxo-4-(2-oxopyrrolidin-1-yl)-3,4-dihydropyrano[3,2-c]quinolin-3-yl] acetate?
[6-benzyl-2,2-dimethyl-5-oxo-4-(2-oxopyrrolidin-1-yl)-3,4-dihydropyrano[3,2-c]quinolin-3-yl] acetate has a molecular weight of 460.53 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-benzyl-2,2-dimethyl-5-oxo-4-(2-oxopyrrolidin-1-yl)-3,4-dihydropyrano[3,2-c]quinolin-3-yl] acetate is sourced from PubChem (CID 19983163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).